Information card for entry 4075139

Structure parameters

• Formula: C66 H70 O13 P4 Ru2
• Calculated formula: C66 H70 O13 P4 Ru2
• SMILES: [Ru]123([P@@](CC[P@]1(c1ccccc1OC)c1ccccc1)(c1ccccc1[O]2C)c1ccccc1)([OH2])[O]=C(O[Ru]124([P@@](CC[P@]1(c1ccccc1OC)c1ccccc1)(c1ccccc1[O]2C)c1ccccc1)OC(=O)C[C@@H]4C(=O)OC)C[C@@H]3C(=O)OC
• Title of publication: Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties
• Authors of publication: Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2547
• a: 22.045 ± 0.006 Å
• b: 18.27 ± 0.005 Å
• c: 20.12 ± 0.005 Å
• α: 90 ± 0.0011°
• β: 107.694 ± 0.0013°
• γ: 90 ± 0.0011°
• Cell volume: 7720 ± 4 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No